SCHEMBL22010608

SCHEMBL22010608

CC[C@@]12CC[C@@]3(C)C4=CC(=O)C(OCC(F)F)=C(C)C4=CC=C3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(N)=O)C[C@H]12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 5/20 0.69
CASP3 P42574 15/20 0.52
TERT O14746 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22010604 0.92 NR4A1 (0.69) NR4A1CASP3TERT
SCHEMBL22010869 0.90 NR4A1 (0.62) NR4A1CASP3TERT
SCHEMBL22010606 0.90 NR4A1 (0.84) NR4A1CASP3TERT
SCHEMBL22010975 0.89 NR4A1 (0.61) NR4A1CASP3TERT
SCHEMBL22010858 0.89 NR4A1 (0.66) NR4A1CASP3TERT
SCHEMBL22010993 0.89 CASP3 (0.60) NR4A1CASP3
SCHEMBL22010992 0.89 NR4A1 (0.56) NR4A1CASP3TERT
SCHEMBL26208654 0.89 NR4A1 (0.58) NR4A1CASP3TERT
SCHEMBL23054483 0.88 NR4A1 (0.62) NR4A1CASP3TERT
SCHEMBL22010887 0.88 NR4A1 (0.58) NR4A1CASP3TERT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
US-20210061851-A1 ANALOGS OF CELASTROL ERX PHARMACEUTICALS CORPORATION 2021-03-04 US disclosed
US-10662218-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION 2020-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210061851-A1 ANALOGS OF CELASTROL GIPR, GPR119, EBP NR4A1 1945/4885CASP3 247/4885TERT 3225/4885
US-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP NR4A1 1945/4885CASP3 247/4885TERT 3225/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP NR4A1 1945/4885CASP3 247/4885TERT 3225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.